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10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide

PropertiesImage
MNX_IDMNXM1101979 Image of MNXM1101979
referencechebi:176173
formulaC24H42O10
global charge0
mol weight490.59
InChIKeyIRADJQUIAYBZPY-WKVBQAANSA-N
InChIInChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1
SMILESCCCCC/C=C\C[C@@H](O)[C@@H](CCCCCCCC(=O)O)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1 Image of MNXM1101979
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:7]=[CH:10]\[CH2:13][C@H:16]([C@@H:17]([CH2:14][CH2:11][CH2:8][CH2:6][CH2:9][CH2:12][CH2:15][C:18](=[O:26])[OH:27])[O:33][C@H:24]1[C@H:21]([OH:30])[C@H:19]([OH:28])[C@H:20]([OH:29])[C@H:22]([C:23](=[O:31])[OH:32])[O:34]1)[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176173
chebi:176173
IRADJQUIAYBZPY-WKVBQAANSA-N 		10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide
(2R,3S,4R,5R,6R)-6-[(Z,8R,9R)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060120
IRADJQUIAYBZPY-WKVBQAANSA-N 		10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide
(2R,3S,4R,5R,6R)-6-{[(8R,9R,11Z)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
10-Hydroxy-octadec-12Z-enoate-9-b-D-glucuronide
10-Hydroxy-octadec-12Z-enoic acid-9-b-D-glucuronide
10-Hydroxy-octadec-12Z-enoic acid-9-beta-D-glucuronide

bigg.metabolite:CE2304
biggM:CE2304
IRADJQUIAYBZPY-WKVBQAANSA-L 		10-hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide

hmdb:HMDB60120
biggM:M_CE2304 		secondary/obsolete/fantasy identifier